Electron Paramagnetic Resonance and Magnetic Studies of Paramagnetic F-Block Metal Complexes

该项目涉及开发新的实验方法，能够系统地研究含环戊二基配体（即M(Cp)3）的f元素有机金属配合物的化学键共价程度。它还旨在使用磁性和EPR技术来获取有关自旋动力学，量子相干性和磁性行为的信息，并探讨它们在量子信息存储和处理中的应用。具体目标是：(i)通过磁性测量和连续波（CW） EPR光谱研究MIII(Cp-R)3和[MII(Cp-R)]K型配合物的磁性行为；（ii）利用现代自旋回波EPR方法（即ESEEM；瞬态章动）测量自旋相干性和自旋晶格弛豫；（iii）通过使用w- epr、HYSCORE和ENDOR技术对超精细相互作用进行量化，确定金属-配体键共价的程度；（iv）使用特定的软件：EasySpin， XSophe， PHI等对化合物的磁性和EPR数据进行建模。(v)比较和解释(i)-(iv)中获得的结果，以了解化合物的性质：共价；电子结构;量子行为;（vi）使用在(v)中获得的知识来设计未来的材料。

This project concerns the development of novel experimental methods that enable a systematic study of the extent of covalency in the chemical bonding of f-element organometallic complexes containing cyclopentadinyl ligands (i.e. M(Cp)3). It also aims to use magnetic and EPR techniques to gain information on spin dynamics, quantum coherence properties, and magnetic behaviours, with a view of probing their utility for quantum information storage and processing. Specific objectives are: (i) Explore the magnetic behaviours of MIII(Cp-R)3 and [MII(Cp-R)]K type complexes through magnetic measurements and continuous-wave (CW) EPR spectroscopy; (ii) Measure spin-coherence and spin-lattice relaxation via modern spin-echo EPR methods (i.e. ESEEM; transient nutation); (iii) Determine the extent of covalency in the metal-ligand bond through quantification of hyperfine interactions using cw-EPR, HYSCORE and ENDOR techniques;(iv) Model the magnetic and EPR data of the compounds using specific software: EasySpin, XSophe, PHI, etc. (v) Compare and interpret the results obtained in (i)-(iv) to gain understanding of the properties of the compounds: covalency; electronic structure; quantum behaviour; (vi) Use knowledge gained in (v) to design future materials.